USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 SER OG : rot 175:sc= 0.589 USER MOD Set 1.2: A 93 THR OG1 : rot 118:sc= 0.658 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.668 K(o=1.3,f=-0.0066) USER MOD Set 2.2: A 68 THR OG1 : rot -137:sc= 0.603 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.613 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -165:sc= 0.687 (180deg=0) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 177:sc= 0.826 (180deg=0) USER MOD Set 4.2: A 77 THR OG1 : rot 170:sc= 0.725 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 2.15 (180deg=1.19) USER MOD Single : A 7 GLN : amide:sc= 1 K(o=1,f=-0.11) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.316 K(o=0.32,f=-3.9!) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.932 (180deg=0.887) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc=-0.00692 (180deg=-0.0745) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.607 K(o=-0.61,f=-5.1!) USER MOD Single : A 67 HIS : no HD1:sc= 0.799 K(o=0.8,f=-2.7!) USER MOD Single : A 84 ASN : amide:sc= 0.813 K(o=0.81,f=-0.026) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= 0.0864 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 1.860 -5.145 -0.273 1.00 0.00 N ATOM 16 CA VAL A 2 2.928 -5.938 -0.919 1.00 0.00 C ATOM 17 C VAL A 2 2.807 -5.902 -2.426 1.00 0.00 C ATOM 18 O VAL A 2 1.711 -5.897 -2.957 1.00 0.00 O ATOM 19 CB VAL A 2 2.834 -7.406 -0.497 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.389 -8.512 -1.403 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.512 -7.585 0.840 1.00 0.00 C ATOM 0 HA VAL A 2 3.876 -5.500 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 2 1.754 -7.554 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.229 -9.482 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.876 -8.486 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.457 -8.355 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.447 -8.630 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.560 -7.295 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.020 -6.959 1.584 1.00 0.00 H new ATOM 31 N ILE A 3 3.947 -6.008 -3.091 1.00 0.00 N ATOM 32 CA ILE A 3 4.107 -6.293 -4.517 1.00 0.00 C ATOM 33 C ILE A 3 4.811 -7.657 -4.526 1.00 0.00 C ATOM 34 O ILE A 3 6.017 -7.737 -4.292 1.00 0.00 O ATOM 35 CB ILE A 3 4.938 -5.201 -5.221 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.287 -3.803 -5.273 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.203 -5.620 -6.678 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.974 -3.098 -3.953 1.00 0.00 C ATOM 0 H ILE A 3 4.846 -5.890 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 3 3.163 -6.308 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 3 5.843 -5.116 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.944 -3.152 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.355 -3.891 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.790 -4.849 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.753 -6.561 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.254 -5.747 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.520 -2.128 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.282 -3.707 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.896 -2.956 -3.389 1.00 0.00 H new ATOM 50 N ILE A 4 4.046 -8.751 -4.629 1.00 0.00 N ATOM 51 CA ILE A 4 4.527 -10.120 -4.435 1.00 0.00 C ATOM 52 C ILE A 4 5.538 -10.484 -5.540 1.00 0.00 C ATOM 53 O ILE A 4 5.394 -10.050 -6.692 1.00 0.00 O ATOM 54 CB ILE A 4 3.290 -11.051 -4.442 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.271 -12.159 -3.386 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.057 -11.716 -5.786 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.494 -13.087 -3.315 1.00 0.00 C ATOM 0 H ILE A 4 3.052 -8.705 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 4 5.051 -10.229 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 4 2.494 -10.346 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.145 -11.692 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.389 -12.776 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.176 -12.356 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.901 -10.952 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.926 -12.319 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.347 -13.823 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.618 -13.599 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.386 -12.498 -3.100 1.00 0.00 H new ATOM 69 N LYS A 5 6.523 -11.331 -5.223 1.00 0.00 N ATOM 70 CA LYS A 5 7.598 -11.736 -6.143 1.00 0.00 C ATOM 71 C LYS A 5 8.032 -13.200 -5.974 1.00 0.00 C ATOM 72 O LYS A 5 7.867 -13.760 -4.888 1.00 0.00 O ATOM 73 CB LYS A 5 8.778 -10.798 -5.943 1.00 0.00 C ATOM 74 CG LYS A 5 8.386 -9.406 -6.421 1.00 0.00 C ATOM 75 CD LYS A 5 9.571 -8.551 -6.804 1.00 0.00 C ATOM 76 CE LYS A 5 9.001 -7.148 -6.963 1.00 0.00 C ATOM 77 NZ LYS A 5 10.038 -6.119 -7.234 1.00 0.00 N ATOM 0 H LYS A 5 6.599 -11.764 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 5 7.213 -11.665 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.063 -10.769 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.644 -11.158 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.720 -9.498 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.824 -8.904 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.344 -8.579 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.028 -8.900 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.277 -7.148 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.460 -6.878 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.611 -5.324 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.431 -5.777 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.799 -6.536 -7.808 1.00 0.00 H new ATOM 91 N PRO A 6 8.556 -13.820 -7.048 1.00 0.00 N ATOM 92 CA PRO A 6 8.879 -15.242 -7.057 1.00 0.00 C ATOM 93 C PRO A 6 10.230 -15.545 -6.408 1.00 0.00 C ATOM 94 O PRO A 6 11.163 -14.750 -6.494 1.00 0.00 O ATOM 95 CB PRO A 6 8.869 -15.600 -8.540 1.00 0.00 C ATOM 96 CG PRO A 6 9.298 -14.329 -9.267 1.00 0.00 C ATOM 97 CD PRO A 6 8.768 -13.227 -8.365 1.00 0.00 C ATOM 0 HA PRO A 6 8.171 -15.828 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.553 -16.422 -8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.877 -15.920 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.381 -14.274 -9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.871 -14.272 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.477 -12.401 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.837 -12.820 -8.759 1.00 0.00 H new ATOM 105 N GLN A 7 10.368 -16.724 -5.792 1.00 0.00 N ATOM 106 CA GLN A 7 11.625 -17.153 -5.165 1.00 0.00 C ATOM 107 C GLN A 7 12.727 -17.586 -6.157 1.00 0.00 C ATOM 108 O GLN A 7 13.887 -17.727 -5.763 1.00 0.00 O ATOM 109 CB GLN A 7 11.344 -18.235 -4.102 1.00 0.00 C ATOM 110 CG GLN A 7 10.699 -19.524 -4.644 1.00 0.00 C ATOM 111 CD GLN A 7 10.596 -20.601 -3.558 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.553 -20.918 -2.863 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.452 -21.221 -3.371 1.00 0.00 N ATOM 0 H GLN A 7 9.614 -17.407 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 7 12.040 -16.270 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.282 -18.494 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.691 -17.813 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.705 -19.300 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.288 -19.903 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.640 -20.975 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.376 -21.948 -2.660 1.00 0.00 H new ATOM 122 N VAL A 8 12.388 -17.781 -7.438 1.00 0.00 N ATOM 123 CA VAL A 8 13.310 -18.153 -8.539 1.00 0.00 C ATOM 124 C VAL A 8 12.913 -17.453 -9.850 1.00 0.00 C ATOM 125 O VAL A 8 11.803 -16.934 -9.964 1.00 0.00 O ATOM 126 CB VAL A 8 13.361 -19.685 -8.768 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.940 -20.425 -7.559 1.00 0.00 C ATOM 128 CG2 VAL A 8 11.993 -20.288 -9.112 1.00 0.00 C ATOM 0 H VAL A 8 11.424 -17.682 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 8 14.303 -17.821 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 8 14.019 -19.820 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.958 -21.496 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.955 -20.075 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.320 -20.232 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.096 -21.363 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.297 -20.100 -8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.613 -19.830 -10.025 1.00 0.00 H new ATOM 138 N SER A 9 13.803 -17.469 -10.846 1.00 0.00 N ATOM 139 CA SER A 9 13.513 -17.004 -12.214 1.00 0.00 C ATOM 140 C SER A 9 13.092 -18.156 -13.151 1.00 0.00 C ATOM 141 O SER A 9 13.234 -19.329 -12.812 1.00 0.00 O ATOM 142 CB SER A 9 14.734 -16.269 -12.781 1.00 0.00 C ATOM 143 OG SER A 9 15.861 -17.130 -12.857 1.00 0.00 O ATOM 0 H SER A 9 14.758 -17.808 -10.728 1.00 0.00 H new ATOM 0 HA SER A 9 12.667 -16.319 -12.157 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.501 -15.882 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.970 -15.411 -12.152 1.00 0.00 H new ATOM 0 HG SER A 9 16.625 -16.637 -13.223 1.00 0.00 H new ATOM 149 N GLY A 10 12.540 -17.831 -14.324 1.00 0.00 N ATOM 150 CA GLY A 10 11.884 -18.765 -15.244 1.00 0.00 C ATOM 151 C GLY A 10 10.645 -18.120 -15.738 1.00 0.00 C ATOM 152 O GLY A 10 10.608 -16.950 -16.104 1.00 0.00 O ATOM 0 H GLY A 10 12.538 -16.872 -14.672 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.545 -19.009 -16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.651 -19.701 -14.736 1.00 0.00 H new ATOM 156 N VAL A 11 9.626 -18.944 -15.789 1.00 0.00 N ATOM 157 CA VAL A 11 8.430 -18.566 -16.468 1.00 0.00 C ATOM 158 C VAL A 11 7.229 -19.133 -15.740 1.00 0.00 C ATOM 159 O VAL A 11 7.282 -20.268 -15.273 1.00 0.00 O ATOM 160 CB VAL A 11 8.583 -19.134 -17.880 1.00 0.00 C ATOM 161 CG1 VAL A 11 7.257 -19.053 -18.525 1.00 0.00 C ATOM 162 CG2 VAL A 11 9.407 -18.274 -18.827 1.00 0.00 C ATOM 0 H VAL A 11 9.609 -19.873 -15.368 1.00 0.00 H new ATOM 0 HA VAL A 11 8.275 -17.488 -16.504 1.00 0.00 H new ATOM 0 HB VAL A 11 9.035 -20.117 -17.745 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.321 -19.449 -19.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.537 -19.637 -17.951 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.933 -18.013 -18.562 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.461 -18.756 -19.803 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.938 -17.296 -18.931 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.413 -18.153 -18.426 1.00 0.00 H new ATOM 172 N ILE A 12 6.143 -18.364 -15.698 1.00 0.00 N ATOM 173 CA ILE A 12 4.884 -18.809 -15.086 1.00 0.00 C ATOM 174 C ILE A 12 4.313 -20.079 -15.767 1.00 0.00 C ATOM 175 O ILE A 12 4.325 -20.197 -16.994 1.00 0.00 O ATOM 176 CB ILE A 12 3.866 -17.655 -15.153 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.374 -16.313 -14.584 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.516 -18.001 -14.510 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.735 -16.339 -13.099 1.00 0.00 C ATOM 0 H ILE A 12 6.106 -17.420 -16.083 1.00 0.00 H new ATOM 0 HA ILE A 12 5.083 -19.078 -14.048 1.00 0.00 H new ATOM 0 HB ILE A 12 3.724 -17.519 -16.225 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.252 -16.004 -15.151 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.608 -15.554 -14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.845 -17.146 -14.591 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.077 -18.857 -15.023 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.666 -18.246 -13.459 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.081 -15.352 -12.791 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.856 -16.613 -12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.526 -17.070 -12.930 1.00 0.00 H new ATOM 191 N VAL A 13 3.725 -20.977 -14.971 1.00 0.00 N ATOM 192 CA VAL A 13 3.144 -22.278 -15.383 1.00 0.00 C ATOM 193 C VAL A 13 1.685 -22.430 -14.952 1.00 0.00 C ATOM 194 O VAL A 13 0.882 -23.018 -15.681 1.00 0.00 O ATOM 195 CB VAL A 13 3.921 -23.452 -14.736 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.439 -24.831 -15.202 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.410 -23.382 -15.043 1.00 0.00 C ATOM 0 H VAL A 13 3.632 -20.817 -13.968 1.00 0.00 H new ATOM 0 HA VAL A 13 3.212 -22.300 -16.471 1.00 0.00 H new ATOM 0 HB VAL A 13 3.733 -23.341 -13.668 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.026 -25.607 -14.710 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.387 -24.954 -14.946 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.561 -24.913 -16.282 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.919 -24.223 -14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.562 -23.425 -16.122 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.818 -22.448 -14.656 1.00 0.00 H new ATOM 207 N ASN A 14 1.327 -21.884 -13.788 1.00 0.00 N ATOM 208 CA ASN A 14 -0.033 -21.890 -13.259 1.00 0.00 C ATOM 209 C ASN A 14 -0.301 -20.630 -12.422 1.00 0.00 C ATOM 210 O ASN A 14 0.626 -20.012 -11.887 1.00 0.00 O ATOM 211 CB ASN A 14 -0.261 -23.170 -12.422 1.00 0.00 C ATOM 212 CG ASN A 14 -1.724 -23.586 -12.298 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.636 -22.939 -12.797 1.00 0.00 O ATOM 214 ND2 ASN A 14 -1.996 -24.682 -11.633 1.00 0.00 N ATOM 0 H ASN A 14 1.993 -21.415 -13.174 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.736 -21.886 -14.092 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.301 -23.989 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.146 -23.014 -11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.963 -24.992 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.241 -25.226 -11.215 1.00 0.00 H new ATOM 221 N LYS A 15 -1.592 -20.315 -12.280 1.00 0.00 N ATOM 222 CA LYS A 15 -2.178 -19.202 -11.547 1.00 0.00 C ATOM 223 C LYS A 15 -3.193 -19.790 -10.574 1.00 0.00 C ATOM 224 O LYS A 15 -4.334 -20.075 -10.938 1.00 0.00 O ATOM 225 CB LYS A 15 -2.824 -18.209 -12.527 1.00 0.00 C ATOM 226 CG LYS A 15 -1.820 -17.551 -13.486 1.00 0.00 C ATOM 227 CD LYS A 15 -1.195 -16.253 -12.969 1.00 0.00 C ATOM 228 CE LYS A 15 -2.172 -15.076 -12.932 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.644 -14.649 -14.274 1.00 0.00 N ATOM 0 H LYS A 15 -2.314 -20.888 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.423 -18.645 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.584 -18.729 -13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.335 -17.431 -11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.022 -18.263 -13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.323 -17.345 -14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.804 -16.422 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.347 -15.991 -13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.034 -15.350 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.690 -14.231 -12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.365 -13.907 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.842 -14.278 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.056 -15.463 -14.772 1.00 0.00 H new ATOM 243 N LEU A 16 -2.742 -20.034 -9.344 1.00 0.00 N ATOM 244 CA LEU A 16 -3.555 -20.623 -8.287 1.00 0.00 C ATOM 245 C LEU A 16 -4.630 -19.657 -7.781 1.00 0.00 C ATOM 246 O LEU A 16 -5.777 -20.040 -7.547 1.00 0.00 O ATOM 247 CB LEU A 16 -2.636 -21.028 -7.142 1.00 0.00 C ATOM 248 CG LEU A 16 -1.817 -22.296 -7.387 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.500 -23.396 -8.204 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.480 -22.010 -8.057 1.00 0.00 C ATOM 0 H LEU A 16 -1.787 -19.824 -9.052 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.074 -21.492 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.951 -20.205 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.239 -21.171 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.688 -22.669 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.823 -24.243 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.407 -23.719 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.757 -23.010 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.059 -22.945 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.651 -21.531 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.110 -21.348 -7.423 1.00 0.00 H new ATOM 262 N PHE A 17 -4.227 -18.400 -7.615 1.00 0.00 N ATOM 263 CA PHE A 17 -5.098 -17.283 -7.246 1.00 0.00 C ATOM 264 C PHE A 17 -5.875 -16.731 -8.458 1.00 0.00 C ATOM 265 O PHE A 17 -5.667 -17.148 -9.602 1.00 0.00 O ATOM 266 CB PHE A 17 -4.263 -16.201 -6.539 1.00 0.00 C ATOM 267 CG PHE A 17 -3.729 -15.087 -7.423 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.672 -15.311 -8.324 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.357 -13.828 -7.399 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.309 -14.305 -9.233 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.938 -12.796 -8.255 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.910 -13.039 -9.173 1.00 0.00 C ATOM 0 H PHE A 17 -3.254 -18.120 -7.737 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.858 -17.641 -6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.874 -15.754 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.418 -16.685 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.143 -16.252 -8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.172 -13.653 -6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.561 -14.507 -9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.405 -11.824 -8.205 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.580 -12.252 -9.835 1.00 0.00 H new ATOM 282 N LYS A 18 -6.729 -15.737 -8.201 1.00 0.00 N ATOM 283 CA LYS A 18 -7.439 -14.942 -9.232 1.00 0.00 C ATOM 284 C LYS A 18 -7.340 -13.446 -8.936 1.00 0.00 C ATOM 285 O LYS A 18 -7.400 -13.032 -7.776 1.00 0.00 O ATOM 286 CB LYS A 18 -8.911 -15.338 -9.360 1.00 0.00 C ATOM 287 CG LYS A 18 -9.109 -16.851 -9.499 1.00 0.00 C ATOM 288 CD LYS A 18 -10.396 -17.137 -10.277 1.00 0.00 C ATOM 289 CE LYS A 18 -10.647 -18.643 -10.386 1.00 0.00 C ATOM 290 NZ LYS A 18 -11.865 -18.934 -11.180 1.00 0.00 N ATOM 0 H LYS A 18 -6.958 -15.448 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.946 -15.159 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.455 -14.984 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.343 -14.838 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.256 -17.293 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.159 -17.312 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.240 -16.659 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.326 -16.703 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.786 -19.124 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.751 -19.069 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.006 -19.963 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.690 -18.495 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.754 -18.549 -12.140 1.00 0.00 H new ATOM 304 N ALA A 19 -7.237 -12.628 -9.985 1.00 0.00 N ATOM 305 CA ALA A 19 -7.265 -11.169 -9.880 1.00 0.00 C ATOM 306 C ALA A 19 -8.527 -10.661 -9.154 1.00 0.00 C ATOM 307 O ALA A 19 -9.641 -10.756 -9.681 1.00 0.00 O ATOM 308 CB ALA A 19 -7.105 -10.580 -11.289 1.00 0.00 C ATOM 0 H ALA A 19 -7.131 -12.964 -10.942 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.435 -10.830 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.123 -9.492 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.155 -10.905 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.923 -10.924 -11.922 1.00 0.00 H new ATOM 314 N GLY A 20 -8.347 -10.135 -7.938 1.00 0.00 N ATOM 315 CA GLY A 20 -9.414 -9.602 -7.086 1.00 0.00 C ATOM 316 C GLY A 20 -9.934 -10.567 -6.008 1.00 0.00 C ATOM 317 O GLY A 20 -10.806 -10.182 -5.223 1.00 0.00 O ATOM 0 H GLY A 20 -7.425 -10.067 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.050 -8.699 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.250 -9.306 -7.720 1.00 0.00 H new ATOM 321 N ASP A 21 -9.448 -11.813 -5.959 1.00 0.00 N ATOM 322 CA ASP A 21 -9.807 -12.816 -4.943 1.00 0.00 C ATOM 323 C ASP A 21 -9.295 -12.469 -3.520 1.00 0.00 C ATOM 324 O ASP A 21 -8.618 -11.462 -3.294 1.00 0.00 O ATOM 325 CB ASP A 21 -9.251 -14.175 -5.419 1.00 0.00 C ATOM 326 CG ASP A 21 -9.857 -15.425 -4.758 1.00 0.00 C ATOM 327 OD1 ASP A 21 -10.889 -15.321 -4.055 1.00 0.00 O ATOM 328 OD2 ASP A 21 -9.313 -16.533 -4.980 1.00 0.00 O ATOM 0 H ASP A 21 -8.776 -12.163 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.893 -12.845 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.403 -14.249 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.175 -14.184 -5.247 1.00 0.00 H new ATOM 333 N LYS A 22 -9.629 -13.312 -2.540 1.00 0.00 N ATOM 334 CA LYS A 22 -9.058 -13.313 -1.185 1.00 0.00 C ATOM 335 C LYS A 22 -7.861 -14.274 -1.119 1.00 0.00 C ATOM 336 O LYS A 22 -7.714 -15.160 -1.959 1.00 0.00 O ATOM 337 CB LYS A 22 -10.146 -13.703 -0.163 1.00 0.00 C ATOM 338 CG LYS A 22 -11.300 -12.682 -0.088 1.00 0.00 C ATOM 339 CD LYS A 22 -10.907 -11.413 0.684 1.00 0.00 C ATOM 340 CE LYS A 22 -11.933 -10.281 0.526 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.765 -9.570 -0.770 1.00 0.00 N ATOM 0 H LYS A 22 -10.330 -14.041 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.700 -12.313 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.550 -14.680 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.691 -13.802 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.607 -12.410 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.161 -13.145 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.799 -11.655 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.934 -11.067 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.941 -10.691 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.824 -9.573 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.505 -8.846 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.830 -9.116 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.843 -10.251 -1.552 1.00 0.00 H new ATOM 355 N VAL A 23 -7.021 -14.116 -0.100 1.00 0.00 N ATOM 356 CA VAL A 23 -5.886 -15.002 0.221 1.00 0.00 C ATOM 357 C VAL A 23 -5.899 -15.352 1.709 1.00 0.00 C ATOM 358 O VAL A 23 -6.113 -14.471 2.540 1.00 0.00 O ATOM 359 CB VAL A 23 -4.519 -14.402 -0.154 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.322 -14.411 -1.672 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.286 -12.974 0.344 1.00 0.00 C ATOM 0 H VAL A 23 -7.108 -13.339 0.556 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.016 -15.900 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.795 -15.043 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.350 -13.983 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.369 -15.436 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.107 -13.820 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.298 -12.637 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.044 -12.314 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.350 -12.953 1.432 1.00 0.00 H new ATOM 371 N LYS A 24 -5.698 -16.631 2.062 1.00 0.00 N ATOM 372 CA LYS A 24 -5.408 -17.091 3.426 1.00 0.00 C ATOM 373 C LYS A 24 -3.960 -16.671 3.792 1.00 0.00 C ATOM 374 O LYS A 24 -3.254 -16.175 2.915 1.00 0.00 O ATOM 375 CB LYS A 24 -5.751 -18.585 3.450 1.00 0.00 C ATOM 376 CG LYS A 24 -5.421 -19.272 4.760 1.00 0.00 C ATOM 377 CD LYS A 24 -6.063 -18.717 6.028 1.00 0.00 C ATOM 378 CE LYS A 24 -5.467 -19.473 7.216 1.00 0.00 C ATOM 379 NZ LYS A 24 -5.885 -20.903 7.297 1.00 0.00 N ATOM 0 H LYS A 24 -5.734 -17.394 1.386 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.005 -16.636 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.815 -18.706 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.213 -19.084 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.705 -20.321 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.339 -19.245 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.870 -17.648 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.145 -18.844 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.380 -19.426 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.757 -18.968 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.569 -21.306 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.921 -20.966 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.457 -21.435 6.513 1.00 0.00 H new ATOM 393 N LYS A 25 -3.510 -16.843 5.051 1.00 0.00 N ATOM 394 CA LYS A 25 -2.187 -16.506 5.658 1.00 0.00 C ATOM 395 C LYS A 25 -0.920 -17.089 4.966 1.00 0.00 C ATOM 396 O LYS A 25 -0.006 -17.562 5.646 1.00 0.00 O ATOM 397 CB LYS A 25 -2.159 -16.847 7.160 1.00 0.00 C ATOM 398 CG LYS A 25 -3.263 -16.257 8.038 1.00 0.00 C ATOM 399 CD LYS A 25 -3.034 -14.827 8.567 1.00 0.00 C ATOM 400 CE LYS A 25 -1.827 -14.739 9.513 1.00 0.00 C ATOM 401 NZ LYS A 25 -1.803 -13.463 10.275 1.00 0.00 N ATOM 0 H LYS A 25 -4.122 -17.265 5.749 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.117 -15.431 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.194 -17.932 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.200 -16.521 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.192 -16.265 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.408 -16.917 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.883 -14.151 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.928 -14.489 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.852 -15.576 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.907 -14.833 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.972 -13.448 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.752 -12.664 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.668 -13.384 10.847 1.00 0.00 H new ATOM 415 N GLY A 26 -0.860 -17.115 3.636 1.00 0.00 N ATOM 416 CA GLY A 26 0.191 -17.758 2.842 1.00 0.00 C ATOM 417 C GLY A 26 -0.292 -18.803 1.847 1.00 0.00 C ATOM 418 O GLY A 26 0.451 -19.729 1.527 1.00 0.00 O ATOM 0 H GLY A 26 -1.571 -16.671 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.735 -16.986 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.901 -18.229 3.522 1.00 0.00 H new ATOM 422 N GLN A 27 -1.542 -18.709 1.372 1.00 0.00 N ATOM 423 CA GLN A 27 -2.006 -19.559 0.272 1.00 0.00 C ATOM 424 C GLN A 27 -1.105 -19.482 -0.981 1.00 0.00 C ATOM 425 O GLN A 27 -0.495 -18.450 -1.268 1.00 0.00 O ATOM 426 CB GLN A 27 -3.500 -19.367 0.007 1.00 0.00 C ATOM 427 CG GLN A 27 -3.756 -18.399 -1.115 1.00 0.00 C ATOM 428 CD GLN A 27 -5.246 -18.196 -1.353 1.00 0.00 C ATOM 429 OE1 GLN A 27 -6.072 -18.231 -0.445 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.640 -17.995 -2.590 1.00 0.00 N ATOM 0 H GLN A 27 -2.242 -18.059 1.729 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.900 -20.595 0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.951 -20.329 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.985 -19.006 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.291 -17.441 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.288 -18.768 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.955 -17.966 -3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.631 -17.868 -2.795 1.00 0.00 H new ATOM 439 N THR A 28 -1.037 -20.569 -1.744 1.00 0.00 N ATOM 440 CA THR A 28 -0.278 -20.666 -3.005 1.00 0.00 C ATOM 441 C THR A 28 -0.927 -19.824 -4.109 1.00 0.00 C ATOM 442 O THR A 28 -2.153 -19.786 -4.234 1.00 0.00 O ATOM 443 CB THR A 28 -0.173 -22.135 -3.431 1.00 0.00 C ATOM 444 OG1 THR A 28 0.287 -22.903 -2.339 1.00 0.00 O ATOM 445 CG2 THR A 28 0.839 -22.362 -4.556 1.00 0.00 C ATOM 0 H THR A 28 -1.519 -21.435 -1.503 1.00 0.00 H new ATOM 0 HA THR A 28 0.724 -20.271 -2.840 1.00 0.00 H new ATOM 0 HB THR A 28 -1.167 -22.423 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.354 -23.844 -2.606 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.867 -23.421 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.545 -21.784 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.828 -22.042 -4.226 1.00 0.00 H new ATOM 453 N LEU A 29 -0.091 -19.157 -4.908 1.00 0.00 N ATOM 454 CA LEU A 29 -0.459 -18.108 -5.864 1.00 0.00 C ATOM 455 C LEU A 29 0.005 -18.401 -7.303 1.00 0.00 C ATOM 456 O LEU A 29 -0.789 -18.280 -8.234 1.00 0.00 O ATOM 457 CB LEU A 29 0.159 -16.795 -5.411 1.00 0.00 C ATOM 458 CG LEU A 29 -0.155 -16.329 -3.983 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.333 -14.894 -3.906 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.621 -16.361 -3.570 1.00 0.00 C ATOM 0 H LEU A 29 0.912 -19.343 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.548 -18.060 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.241 -16.879 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.163 -16.014 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 29 0.334 -17.025 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.140 -14.497 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.404 -14.862 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.193 -14.291 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.717 -16.010 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.199 -15.714 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.997 -17.382 -3.641 1.00 0.00 H new ATOM 472 N PHE A 30 1.254 -18.850 -7.483 1.00 0.00 N ATOM 473 CA PHE A 30 1.825 -19.185 -8.808 1.00 0.00 C ATOM 474 C PHE A 30 2.714 -20.433 -8.789 1.00 0.00 C ATOM 475 O PHE A 30 3.138 -20.901 -7.732 1.00 0.00 O ATOM 476 CB PHE A 30 2.638 -18.015 -9.417 1.00 0.00 C ATOM 477 CG PHE A 30 2.042 -16.627 -9.324 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.088 -15.896 -8.114 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.482 -16.046 -10.469 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.481 -14.634 -8.011 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.904 -14.771 -10.384 1.00 0.00 C ATOM 482 CZ PHE A 30 0.852 -14.098 -9.152 1.00 0.00 C ATOM 0 H PHE A 30 1.907 -18.994 -6.712 1.00 0.00 H new ATOM 0 HA PHE A 30 0.953 -19.387 -9.431 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.614 -17.995 -8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.810 -18.237 -10.470 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.597 -16.314 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.495 -16.576 -11.410 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.496 -14.087 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.497 -14.305 -11.269 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.324 -13.159 -9.079 1.00 0.00 H new ATOM 492 N ILE A 31 3.044 -20.910 -9.989 1.00 0.00 N ATOM 493 CA ILE A 31 4.026 -21.971 -10.264 1.00 0.00 C ATOM 494 C ILE A 31 4.946 -21.468 -11.380 1.00 0.00 C ATOM 495 O ILE A 31 4.484 -20.784 -12.295 1.00 0.00 O ATOM 496 CB ILE A 31 3.319 -23.280 -10.668 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.327 -23.658 -9.555 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.325 -24.428 -10.943 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.558 -24.950 -9.779 1.00 0.00 C ATOM 0 H ILE A 31 2.615 -20.552 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 31 4.609 -22.194 -9.371 1.00 0.00 H new ATOM 0 HB ILE A 31 2.784 -23.122 -11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.874 -23.739 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.611 -22.844 -9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.780 -25.329 -11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.993 -24.140 -11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.910 -24.623 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.887 -25.125 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.976 -24.872 -10.697 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.259 -25.781 -9.863 1.00 0.00 H new ATOM 511 N ILE A 32 6.225 -21.819 -11.323 1.00 0.00 N ATOM 512 CA ILE A 32 7.277 -21.485 -12.287 1.00 0.00 C ATOM 513 C ILE A 32 7.966 -22.729 -12.790 1.00 0.00 C ATOM 514 O ILE A 32 8.042 -23.725 -12.087 1.00 0.00 O ATOM 515 CB ILE A 32 8.285 -20.508 -11.640 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.617 -19.128 -11.589 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.669 -20.425 -12.332 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.492 -18.094 -10.888 1.00 0.00 C ATOM 0 H ILE A 32 6.583 -22.382 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 32 6.823 -20.997 -13.149 1.00 0.00 H new ATOM 0 HB ILE A 32 8.517 -20.891 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.401 -18.792 -12.603 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.662 -19.207 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.300 -19.713 -11.800 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.141 -21.407 -12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.541 -20.097 -13.363 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.979 -17.132 -10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.686 -18.415 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.437 -17.994 -11.422 1.00 0.00 H new ATOM 530 N GLU A 33 8.501 -22.615 -13.998 1.00 0.00 N ATOM 531 CA GLU A 33 9.398 -23.556 -14.635 1.00 0.00 C ATOM 532 C GLU A 33 10.747 -22.871 -14.870 1.00 0.00 C ATOM 533 O GLU A 33 10.839 -21.914 -15.642 1.00 0.00 O ATOM 534 CB GLU A 33 8.728 -24.029 -15.928 1.00 0.00 C ATOM 535 CG GLU A 33 9.449 -25.215 -16.530 1.00 0.00 C ATOM 536 CD GLU A 33 8.556 -25.884 -17.592 1.00 0.00 C ATOM 537 OE1 GLU A 33 8.592 -25.484 -18.779 1.00 0.00 O ATOM 538 OE2 GLU A 33 7.780 -26.801 -17.238 1.00 0.00 O ATOM 0 H GLU A 33 8.304 -21.810 -14.593 1.00 0.00 H new ATOM 0 HA GLU A 33 9.594 -24.431 -14.016 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.692 -24.298 -15.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.708 -23.211 -16.648 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.387 -24.891 -16.982 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.702 -25.933 -15.750 1.00 0.00 H new ATOM 545 N GLN A 34 11.769 -23.311 -14.130 1.00 0.00 N ATOM 546 CA GLN A 34 13.077 -22.650 -14.078 1.00 0.00 C ATOM 547 C GLN A 34 13.851 -22.649 -15.392 1.00 0.00 C ATOM 548 O GLN A 34 14.454 -21.645 -15.773 1.00 0.00 O ATOM 549 CB GLN A 34 13.905 -23.255 -12.932 1.00 0.00 C ATOM 550 CG GLN A 34 13.482 -22.705 -11.558 1.00 0.00 C ATOM 551 CD GLN A 34 14.466 -23.100 -10.452 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.667 -22.871 -10.522 1.00 0.00 O ATOM 553 NE2 GLN A 34 13.997 -23.673 -9.366 1.00 0.00 N ATOM 0 H GLN A 34 11.711 -24.144 -13.544 1.00 0.00 H new ATOM 0 HA GLN A 34 12.884 -21.594 -13.888 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.793 -24.339 -12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.961 -23.043 -13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.411 -21.618 -11.609 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.488 -23.078 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.000 -23.873 -9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.630 -23.917 -8.604 1.00 0.00 H new ATOM 1048 N HIS A 67 10.297 -27.245 -11.546 1.00 0.00 N ATOM 1049 CA HIS A 67 9.186 -26.436 -11.065 1.00 0.00 C ATOM 1050 C HIS A 67 9.392 -25.891 -9.647 1.00 0.00 C ATOM 1051 O HIS A 67 9.899 -26.598 -8.770 1.00 0.00 O ATOM 1052 CB HIS A 67 7.869 -27.244 -11.106 1.00 0.00 C ATOM 1053 CG HIS A 67 7.294 -27.508 -12.482 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.397 -28.534 -12.801 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.556 -26.801 -13.616 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.185 -28.442 -14.123 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.874 -27.414 -14.639 1.00 0.00 N ATOM 0 HA HIS A 67 9.132 -25.580 -11.738 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.039 -28.202 -10.615 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.121 -26.712 -10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.182 -25.924 -13.696 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.548 -29.104 -14.692 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.889 -27.136 -15.620 1.00 0.00 H new ATOM 1065 N THR A 68 8.909 -24.668 -9.406 1.00 0.00 N ATOM 1066 CA THR A 68 8.922 -24.024 -8.078 1.00 0.00 C ATOM 1067 C THR A 68 7.639 -23.218 -7.847 1.00 0.00 C ATOM 1068 O THR A 68 7.084 -22.650 -8.785 1.00 0.00 O ATOM 1069 CB THR A 68 10.148 -23.110 -7.956 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.328 -23.819 -8.287 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.368 -22.557 -6.547 1.00 0.00 C ATOM 0 H THR A 68 8.492 -24.086 -10.133 1.00 0.00 H new ATOM 0 HA THR A 68 8.975 -24.803 -7.317 1.00 0.00 H new ATOM 0 HB THR A 68 9.948 -22.284 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.034 -23.596 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.253 -21.920 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.498 -21.973 -6.245 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.510 -23.383 -5.850 1.00 0.00 H new ATOM 1079 N GLU A 69 7.148 -23.164 -6.606 1.00 0.00 N ATOM 1080 CA GLU A 69 5.874 -22.515 -6.252 1.00 0.00 C ATOM 1081 C GLU A 69 6.076 -21.149 -5.575 1.00 0.00 C ATOM 1082 O GLU A 69 7.129 -20.882 -4.989 1.00 0.00 O ATOM 1083 CB GLU A 69 5.065 -23.435 -5.318 1.00 0.00 C ATOM 1084 CG GLU A 69 4.702 -24.791 -5.950 1.00 0.00 C ATOM 1085 CD GLU A 69 3.860 -25.649 -4.988 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.398 -26.117 -3.953 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.648 -25.857 -5.249 1.00 0.00 O ATOM 0 H GLU A 69 7.628 -23.574 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 69 5.331 -22.343 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.639 -23.610 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.148 -22.924 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.148 -24.627 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.613 -25.327 -6.215 1.00 0.00 H new ATOM 1094 N ILE A 70 5.053 -20.288 -5.634 1.00 0.00 N ATOM 1095 CA ILE A 70 5.019 -18.957 -5.008 1.00 0.00 C ATOM 1096 C ILE A 70 3.756 -18.873 -4.155 1.00 0.00 C ATOM 1097 O ILE A 70 2.678 -19.270 -4.607 1.00 0.00 O ATOM 1098 CB ILE A 70 5.009 -17.825 -6.064 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.240 -17.799 -6.992 1.00 0.00 C ATOM 1100 CG2 ILE A 70 4.929 -16.443 -5.387 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.309 -18.920 -8.030 1.00 0.00 C ATOM 0 H ILE A 70 4.193 -20.506 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 70 5.915 -18.826 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 70 4.129 -18.038 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.258 -16.843 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.138 -17.843 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.923 -15.664 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.015 -16.379 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.792 -16.307 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.213 -18.807 -8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.328 -19.885 -7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.435 -18.869 -8.679 1.00 0.00 H new ATOM 1113 N LYS A 71 3.887 -18.331 -2.941 1.00 0.00 N ATOM 1114 CA LYS A 71 2.855 -18.287 -1.896 1.00 0.00 C ATOM 1115 C LYS A 71 2.740 -16.875 -1.301 1.00 0.00 C ATOM 1116 O LYS A 71 3.726 -16.138 -1.266 1.00 0.00 O ATOM 1117 CB LYS A 71 3.207 -19.320 -0.805 1.00 0.00 C ATOM 1118 CG LYS A 71 3.388 -20.762 -1.331 1.00 0.00 C ATOM 1119 CD LYS A 71 3.769 -21.755 -0.221 1.00 0.00 C ATOM 1120 CE LYS A 71 2.643 -22.034 0.783 1.00 0.00 C ATOM 1121 NZ LYS A 71 1.596 -22.933 0.224 1.00 0.00 N ATOM 0 H LYS A 71 4.757 -17.889 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 71 1.886 -18.536 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.126 -19.008 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.420 -19.317 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.463 -21.090 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.160 -20.770 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.074 -22.696 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.634 -21.367 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.064 -22.485 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.186 -21.091 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.747 -22.892 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.354 -22.627 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.954 -23.909 0.198 1.00 0.00 H new ATOM 1135 N ALA A 72 1.547 -16.498 -0.831 1.00 0.00 N ATOM 1136 CA ALA A 72 1.281 -15.200 -0.213 1.00 0.00 C ATOM 1137 C ALA A 72 2.106 -14.956 1.072 1.00 0.00 C ATOM 1138 O ALA A 72 2.605 -15.905 1.689 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.231 -15.103 0.070 1.00 0.00 C ATOM 0 H ALA A 72 0.725 -17.100 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 72 1.592 -14.419 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.454 -14.141 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.783 -15.193 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.527 -15.907 0.744 1.00 0.00 H new ATOM 1145 N PRO A 73 2.209 -13.695 1.527 1.00 0.00 N ATOM 1146 CA PRO A 73 2.759 -13.368 2.846 1.00 0.00 C ATOM 1147 C PRO A 73 1.776 -13.588 4.014 1.00 0.00 C ATOM 1148 O PRO A 73 2.161 -14.096 5.066 1.00 0.00 O ATOM 1149 CB PRO A 73 3.073 -11.876 2.754 1.00 0.00 C ATOM 1150 CG PRO A 73 2.036 -11.345 1.768 1.00 0.00 C ATOM 1151 CD PRO A 73 1.962 -12.475 0.757 1.00 0.00 C ATOM 0 HA PRO A 73 3.611 -14.013 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.988 -11.389 3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.089 -11.702 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.074 -11.160 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.350 -10.407 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.986 -12.506 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.705 -12.349 -0.030 1.00 0.00 H new ATOM 1159 N PHE A 74 0.516 -13.185 3.826 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.511 -13.050 4.861 1.00 0.00 C ATOM 1161 C PHE A 74 -1.963 -13.085 4.318 1.00 0.00 C ATOM 1162 O PHE A 74 -2.187 -13.079 3.110 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.253 -11.731 5.624 1.00 0.00 C ATOM 1164 CG PHE A 74 -0.177 -10.466 4.758 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.311 -9.976 4.075 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.056 -9.806 4.550 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -1.207 -8.892 3.188 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.154 -8.698 3.687 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.022 -8.244 2.998 1.00 0.00 C ATOM 0 H PHE A 74 0.168 -12.932 2.901 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.431 -13.914 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.045 -11.598 6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.682 -11.828 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.272 -10.441 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.939 -10.158 5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.080 -8.555 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.102 -8.198 3.556 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.095 -7.402 2.326 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.946 -13.110 5.229 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.388 -13.100 4.926 1.00 0.00 C ATOM 1181 C ASP A 75 -4.887 -11.707 4.510 1.00 0.00 C ATOM 1182 O ASP A 75 -4.519 -10.690 5.107 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.164 -13.601 6.149 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.660 -13.841 5.911 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.422 -12.857 5.799 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.077 -15.020 5.892 1.00 0.00 O ATOM 0 H ASP A 75 -2.755 -13.139 6.231 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.559 -13.763 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.712 -14.532 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.051 -12.876 6.955 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.723 -11.651 3.482 1.00 0.00 N ATOM 1192 CA GLY A 76 -6.176 -10.397 2.884 1.00 0.00 C ATOM 1193 C GLY A 76 -6.811 -10.585 1.511 1.00 0.00 C ATOM 1194 O GLY A 76 -7.477 -11.584 1.236 1.00 0.00 O ATOM 0 H GLY A 76 -6.111 -12.481 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.898 -9.924 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.329 -9.716 2.796 1.00 0.00 H new ATOM 1198 N THR A 77 -6.570 -9.608 0.637 1.00 0.00 N ATOM 1199 CA THR A 77 -7.056 -9.544 -0.749 1.00 0.00 C ATOM 1200 C THR A 77 -5.871 -9.371 -1.681 1.00 0.00 C ATOM 1201 O THR A 77 -4.795 -8.923 -1.278 1.00 0.00 O ATOM 1202 CB THR A 77 -8.037 -8.363 -0.884 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.156 -8.608 -0.060 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.626 -8.109 -2.271 1.00 0.00 C ATOM 0 H THR A 77 -6.003 -8.797 0.885 1.00 0.00 H new ATOM 0 HA THR A 77 -7.578 -10.464 -1.014 1.00 0.00 H new ATOM 0 HB THR A 77 -7.430 -7.497 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.708 -7.800 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.299 -7.252 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.821 -7.904 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.179 -8.989 -2.598 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.057 -9.740 -2.942 1.00 0.00 N ATOM 1213 CA ILE A 78 -4.980 -9.801 -3.914 1.00 0.00 C ATOM 1214 C ILE A 78 -5.436 -9.135 -5.212 1.00 0.00 C ATOM 1215 O ILE A 78 -6.536 -9.383 -5.710 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.498 -11.258 -4.014 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.235 -11.340 -4.869 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.581 -12.249 -4.467 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.458 -12.619 -4.618 1.00 0.00 C ATOM 0 H ILE A 78 -6.967 -10.007 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.099 -9.232 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.252 -11.577 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.507 -11.282 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.598 -10.482 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.160 -13.253 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.408 -12.234 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.945 -11.964 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.568 -12.634 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.162 -12.665 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.085 -13.478 -4.856 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.621 -8.199 -5.701 1.00 0.00 N ATOM 1232 CA GLY A 79 -5.001 -7.261 -6.768 1.00 0.00 C ATOM 1233 C GLY A 79 -5.022 -7.867 -8.170 1.00 0.00 C ATOM 1234 O GLY A 79 -4.922 -9.081 -8.355 1.00 0.00 O ATOM 0 H GLY A 79 -3.667 -8.066 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.989 -6.859 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.306 -6.421 -6.760 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.160 -7.011 -9.179 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.963 -7.400 -10.577 1.00 0.00 C ATOM 1240 C ASP A 80 -3.579 -8.018 -10.795 1.00 0.00 C ATOM 1241 O ASP A 80 -2.542 -7.423 -10.479 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.218 -6.253 -11.567 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.888 -4.856 -11.022 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -5.773 -4.226 -10.393 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.732 -4.391 -11.131 1.00 0.00 O ATOM 0 H ASP A 80 -5.411 -6.030 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.716 -8.160 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.627 -6.428 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.266 -6.274 -11.866 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.580 -9.229 -11.351 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.380 -9.961 -11.728 1.00 0.00 C ATOM 1252 C ALA A 81 -1.527 -9.152 -12.735 1.00 0.00 C ATOM 1253 O ALA A 81 -2.063 -8.444 -13.590 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.829 -11.292 -12.350 1.00 0.00 C ATOM 0 H ALA A 81 -4.440 -9.738 -11.555 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.757 -10.136 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.953 -11.869 -12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.407 -11.858 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.446 -11.094 -13.227 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.205 -9.323 -12.677 1.00 0.00 N ATOM 1261 CA LEU A 82 0.764 -8.673 -13.574 1.00 0.00 C ATOM 1262 C LEU A 82 1.389 -9.650 -14.597 1.00 0.00 C ATOM 1263 O LEU A 82 2.128 -9.219 -15.484 1.00 0.00 O ATOM 1264 CB LEU A 82 1.848 -8.006 -12.718 1.00 0.00 C ATOM 1265 CG LEU A 82 1.470 -6.903 -11.729 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.679 -6.566 -10.848 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.084 -5.701 -12.543 1.00 0.00 C ATOM 0 H LEU A 82 0.237 -9.932 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 82 0.235 -7.926 -14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.344 -8.794 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.589 -7.590 -13.400 1.00 0.00 H new ATOM 0 HG LEU A 82 0.651 -7.217 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.408 -5.780 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.988 -7.455 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.502 -6.223 -11.475 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.805 -4.885 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.928 -5.393 -13.160 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.238 -5.952 -13.183 1.00 0.00 H new ATOM 1279 N VAL A 83 1.086 -10.953 -14.502 1.00 0.00 N ATOM 1280 CA VAL A 83 1.751 -12.049 -15.240 1.00 0.00 C ATOM 1281 C VAL A 83 0.784 -13.169 -15.626 1.00 0.00 C ATOM 1282 O VAL A 83 -0.258 -13.364 -15.000 1.00 0.00 O ATOM 1283 CB VAL A 83 2.911 -12.649 -14.415 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.906 -11.583 -13.957 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.444 -13.399 -13.155 1.00 0.00 C ATOM 0 H VAL A 83 0.345 -11.290 -13.888 1.00 0.00 H new ATOM 0 HA VAL A 83 2.139 -11.603 -16.156 1.00 0.00 H new ATOM 0 HB VAL A 83 3.385 -13.351 -15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.703 -12.053 -13.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.333 -11.085 -14.828 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.393 -10.850 -13.335 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.310 -13.794 -12.624 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.901 -12.714 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.789 -14.221 -13.443 1.00 0.00 H new ATOM 1295 N ASN A 84 1.156 -13.950 -16.635 1.00 0.00 N ATOM 1296 CA ASN A 84 0.425 -15.072 -17.188 1.00 0.00 C ATOM 1297 C ASN A 84 1.392 -16.189 -17.560 1.00 0.00 C ATOM 1298 O ASN A 84 2.600 -15.994 -17.634 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.323 -14.626 -18.447 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.973 -13.255 -18.400 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.131 -13.105 -18.038 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.254 -12.224 -18.764 1.00 0.00 N ATOM 0 H ASN A 84 2.041 -13.800 -17.119 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.283 -15.434 -16.443 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.376 -14.643 -19.283 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.097 -15.363 -18.663 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.659 -11.288 -18.747 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.712 -12.356 -19.065 1.00 0.00 H new ATOM 1309 N ILE A 85 0.850 -17.361 -17.854 1.00 0.00 N ATOM 1310 CA ILE A 85 1.564 -18.588 -18.201 1.00 0.00 C ATOM 1311 C ILE A 85 2.392 -18.349 -19.475 1.00 0.00 C ATOM 1312 O ILE A 85 1.816 -18.271 -20.562 1.00 0.00 O ATOM 1313 CB ILE A 85 0.513 -19.702 -18.366 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.195 -20.081 -17.040 1.00 0.00 C ATOM 1315 CG2 ILE A 85 1.128 -20.998 -18.927 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.026 -18.996 -16.340 1.00 0.00 C ATOM 0 H ILE A 85 -0.161 -17.493 -17.858 1.00 0.00 H new ATOM 0 HA ILE A 85 2.267 -18.890 -17.425 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.213 -19.281 -19.061 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.850 -20.929 -17.240 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.566 -20.425 -16.340 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.351 -21.756 -19.027 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.568 -20.799 -19.904 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.901 -21.358 -18.248 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.461 -19.403 -15.427 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.385 -18.151 -16.090 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.823 -18.663 -17.005 1.00 0.00 H new ATOM 1328 N GLY A 86 3.715 -18.172 -19.345 1.00 0.00 N ATOM 1329 CA GLY A 86 4.575 -17.838 -20.485 1.00 0.00 C ATOM 1330 C GLY A 86 5.243 -16.472 -20.346 1.00 0.00 C ATOM 1331 O GLY A 86 6.197 -16.189 -21.080 1.00 0.00 O ATOM 0 H GLY A 86 4.212 -18.255 -18.458 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.344 -18.604 -20.590 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.981 -17.855 -21.399 1.00 0.00 H new ATOM 1335 N ASP A 87 4.791 -15.624 -19.405 1.00 0.00 N ATOM 1336 CA ASP A 87 5.533 -14.423 -19.046 1.00 0.00 C ATOM 1337 C ASP A 87 6.844 -14.849 -18.383 1.00 0.00 C ATOM 1338 O ASP A 87 6.859 -15.631 -17.411 1.00 0.00 O ATOM 1339 CB ASP A 87 4.730 -13.497 -18.126 1.00 0.00 C ATOM 1340 CG ASP A 87 3.788 -12.585 -18.924 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.286 -11.745 -19.710 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.551 -12.695 -18.755 1.00 0.00 O ATOM 0 H ASP A 87 3.921 -15.755 -18.888 1.00 0.00 H new ATOM 0 HA ASP A 87 5.736 -13.850 -19.951 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.149 -14.095 -17.424 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.414 -12.887 -17.536 1.00 0.00 H new ATOM 1347 N TYR A 88 7.941 -14.354 -18.959 1.00 0.00 N ATOM 1348 CA TYR A 88 9.271 -14.557 -18.426 1.00 0.00 C ATOM 1349 C TYR A 88 9.431 -13.734 -17.157 1.00 0.00 C ATOM 1350 O TYR A 88 9.556 -12.508 -17.216 1.00 0.00 O ATOM 1351 CB TYR A 88 10.355 -14.224 -19.468 1.00 0.00 C ATOM 1352 CG TYR A 88 11.611 -14.975 -19.102 1.00 0.00 C ATOM 1353 CD1 TYR A 88 11.768 -16.270 -19.614 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.463 -14.499 -18.084 1.00 0.00 C ATOM 1355 CE1 TYR A 88 12.703 -17.144 -19.033 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.444 -15.350 -17.538 1.00 0.00 C ATOM 1357 CZ TYR A 88 13.553 -16.681 -18.001 1.00 0.00 C ATOM 1358 OH TYR A 88 14.463 -17.520 -17.432 1.00 0.00 O ATOM 0 H TYR A 88 7.921 -13.798 -19.814 1.00 0.00 H new ATOM 0 HA TYR A 88 9.400 -15.611 -18.179 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.021 -14.506 -20.466 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.546 -13.151 -19.487 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.172 -16.596 -20.453 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.364 -13.486 -17.724 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.772 -18.167 -19.374 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.110 -14.987 -16.769 1.00 0.00 H new ATOM 0 HH TYR A 88 14.964 -17.039 -16.741 1.00 0.00 H new ATOM 1368 N VAL A 89 9.441 -14.426 -16.016 1.00 0.00 N ATOM 1369 CA VAL A 89 9.671 -13.774 -14.709 1.00 0.00 C ATOM 1370 C VAL A 89 11.047 -14.027 -14.083 1.00 0.00 C ATOM 1371 O VAL A 89 11.722 -15.026 -14.330 1.00 0.00 O ATOM 1372 CB VAL A 89 8.551 -14.010 -13.688 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.190 -13.611 -14.254 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.470 -15.459 -13.191 1.00 0.00 C ATOM 0 H VAL A 89 9.294 -15.434 -15.962 1.00 0.00 H new ATOM 0 HA VAL A 89 9.654 -12.717 -14.974 1.00 0.00 H new ATOM 0 HB VAL A 89 8.806 -13.378 -12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.418 -13.791 -13.506 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.201 -12.553 -14.517 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.978 -14.204 -15.144 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.656 -15.552 -12.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.286 -16.123 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.410 -15.732 -12.712 1.00 0.00 H new ATOM 1384 N SER A 90 11.458 -13.108 -13.210 1.00 0.00 N ATOM 1385 CA SER A 90 12.733 -13.134 -12.498 1.00 0.00 C ATOM 1386 C SER A 90 12.545 -12.680 -11.042 1.00 0.00 C ATOM 1387 O SER A 90 11.646 -11.897 -10.730 1.00 0.00 O ATOM 1388 CB SER A 90 13.739 -12.343 -13.329 1.00 0.00 C ATOM 1389 OG SER A 90 14.855 -11.922 -12.562 1.00 0.00 O ATOM 0 H SER A 90 10.890 -12.295 -12.971 1.00 0.00 H new ATOM 0 HA SER A 90 13.140 -14.140 -12.396 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.083 -12.957 -14.161 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.246 -11.471 -13.759 1.00 0.00 H new ATOM 0 HG SER A 90 15.511 -11.491 -13.149 1.00 0.00 H new ATOM 1395 N ALA A 91 13.384 -13.208 -10.144 1.00 0.00 N ATOM 1396 CA ALA A 91 13.183 -13.203 -8.692 1.00 0.00 C ATOM 1397 C ALA A 91 12.928 -11.908 -7.934 1.00 0.00 C ATOM 1398 O ALA A 91 12.328 -11.942 -6.858 1.00 0.00 O ATOM 1399 CB ALA A 91 14.263 -14.074 -8.033 1.00 0.00 C ATOM 0 H ALA A 91 14.253 -13.667 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 91 12.181 -13.621 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.120 -14.075 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.188 -15.094 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.248 -13.672 -8.268 1.00 0.00 H new ATOM 1405 N SER A 92 13.347 -10.773 -8.464 1.00 0.00 N ATOM 1406 CA SER A 92 12.871 -9.482 -7.964 1.00 0.00 C ATOM 1407 C SER A 92 12.510 -8.493 -9.083 1.00 0.00 C ATOM 1408 O SER A 92 12.114 -7.352 -8.822 1.00 0.00 O ATOM 1409 CB SER A 92 13.872 -8.882 -6.966 1.00 0.00 C ATOM 1410 OG SER A 92 15.127 -8.648 -7.582 1.00 0.00 O ATOM 0 H SER A 92 14.011 -10.711 -9.236 1.00 0.00 H new ATOM 0 HA SER A 92 11.937 -9.674 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.478 -7.947 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.998 -9.559 -6.121 1.00 0.00 H new ATOM 0 HG SER A 92 15.747 -8.264 -6.927 1.00 0.00 H new ATOM 1416 N THR A 93 12.624 -8.946 -10.337 1.00 0.00 N ATOM 1417 CA THR A 93 12.654 -8.086 -11.541 1.00 0.00 C ATOM 1418 C THR A 93 11.333 -7.891 -12.298 1.00 0.00 C ATOM 1419 O THR A 93 11.244 -6.965 -13.108 1.00 0.00 O ATOM 1420 CB THR A 93 13.702 -8.652 -12.525 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.858 -9.096 -11.840 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.206 -7.654 -13.569 1.00 0.00 C ATOM 0 H THR A 93 12.700 -9.940 -10.555 1.00 0.00 H new ATOM 0 HA THR A 93 12.899 -7.095 -11.159 1.00 0.00 H new ATOM 0 HB THR A 93 13.167 -9.458 -13.026 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.974 -10.059 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.937 -8.141 -14.214 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.368 -7.303 -14.171 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.673 -6.807 -13.067 1.00 0.00 H new ATOM 1430 N THR A 94 10.288 -8.692 -12.051 1.00 0.00 N ATOM 1431 CA THR A 94 9.124 -8.766 -12.970 1.00 0.00 C ATOM 1432 C THR A 94 7.779 -8.460 -12.347 1.00 0.00 C ATOM 1433 O THR A 94 6.934 -7.857 -13.007 1.00 0.00 O ATOM 1434 CB THR A 94 9.075 -10.126 -13.678 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.370 -10.499 -14.104 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.154 -10.077 -14.890 1.00 0.00 C ATOM 0 H THR A 94 10.216 -9.296 -11.232 1.00 0.00 H new ATOM 0 HA THR A 94 9.297 -7.965 -13.689 1.00 0.00 H new ATOM 0 HB THR A 94 8.691 -10.858 -12.967 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.375 -10.610 -15.078 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.137 -11.054 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.146 -9.813 -14.570 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.519 -9.329 -15.594 1.00 0.00 H new ATOM 1444 N GLU A 95 7.660 -8.742 -11.052 1.00 0.00 N ATOM 1445 CA GLU A 95 6.520 -8.459 -10.186 1.00 0.00 C ATOM 1446 C GLU A 95 5.226 -9.148 -10.655 1.00 0.00 C ATOM 1447 O GLU A 95 4.750 -9.008 -11.778 1.00 0.00 O ATOM 1448 CB GLU A 95 6.362 -6.940 -10.003 1.00 0.00 C ATOM 1449 CG GLU A 95 7.660 -6.129 -10.089 1.00 0.00 C ATOM 1450 CD GLU A 95 7.540 -4.710 -9.503 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.753 -3.889 -10.027 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.278 -4.406 -8.535 1.00 0.00 O ATOM 0 H GLU A 95 8.412 -9.208 -10.545 1.00 0.00 H new ATOM 0 HA GLU A 95 6.724 -8.894 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.671 -6.570 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.901 -6.754 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.449 -6.665 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.965 -6.057 -11.133 1.00 0.00 H new ATOM 1459 N LEU A 96 4.655 -9.950 -9.754 1.00 0.00 N ATOM 1460 CA LEU A 96 3.589 -10.904 -10.115 1.00 0.00 C ATOM 1461 C LEU A 96 2.158 -10.393 -9.909 1.00 0.00 C ATOM 1462 O LEU A 96 1.278 -10.706 -10.708 1.00 0.00 O ATOM 1463 CB LEU A 96 3.761 -12.194 -9.317 1.00 0.00 C ATOM 1464 CG LEU A 96 5.170 -12.810 -9.343 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.325 -13.799 -8.198 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.451 -13.524 -10.654 1.00 0.00 C ATOM 0 H LEU A 96 4.909 -9.962 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 96 3.706 -11.064 -11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.489 -11.997 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.055 -12.932 -9.697 1.00 0.00 H new ATOM 0 HG LEU A 96 5.884 -11.993 -9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.325 -14.231 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.176 -13.283 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.585 -14.592 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.456 -13.945 -10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.725 -14.325 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.373 -12.815 -11.478 1.00 0.00 H new ATOM 1478 N VAL A 97 1.938 -9.633 -8.840 1.00 0.00 N ATOM 1479 CA VAL A 97 0.670 -9.044 -8.366 1.00 0.00 C ATOM 1480 C VAL A 97 0.953 -8.275 -7.059 1.00 0.00 C ATOM 1481 O VAL A 97 2.087 -8.287 -6.579 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.444 -10.097 -8.202 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.138 -11.160 -7.171 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.785 -9.520 -7.785 1.00 0.00 C ATOM 0 H VAL A 97 2.709 -9.385 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 97 0.290 -8.351 -9.117 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.493 -10.522 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.969 -11.863 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.769 -11.693 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.007 -10.692 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.514 -10.325 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.680 -9.012 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.125 -8.808 -8.537 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.051 -7.638 -6.448 1.00 0.00 N ATOM 1495 CA ARG A 98 0.011 -7.058 -5.106 1.00 0.00 C ATOM 1496 C ARG A 98 -0.846 -7.790 -4.071 1.00 0.00 C ATOM 1497 O ARG A 98 -1.933 -8.237 -4.430 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.341 -5.562 -5.176 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.800 -5.331 -5.595 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.100 -3.833 -5.673 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.428 -3.558 -6.249 1.00 0.00 N ATOM 1502 CZ ARG A 98 -3.783 -3.638 -7.527 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -2.952 -3.952 -8.476 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.016 -3.422 -7.872 1.00 0.00 N ATOM 0 H ARG A 98 -0.960 -7.508 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 98 1.035 -7.178 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.167 -5.103 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.322 -5.067 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.985 -5.797 -6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.471 -5.806 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.043 -3.401 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.336 -3.343 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.156 -3.275 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.976 -4.151 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.276 -4.000 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.711 -3.191 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.289 -3.483 -8.853 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.429 -7.868 -2.805 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.226 -8.496 -1.728 1.00 0.00 C ATOM 1520 C VAL A 99 -1.493 -7.455 -0.642 1.00 0.00 C ATOM 1521 O VAL A 99 -0.597 -6.701 -0.259 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.571 -9.770 -1.160 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.625 -10.636 -0.473 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.065 -10.641 -2.249 1.00 0.00 C ATOM 0 H VAL A 99 0.469 -7.500 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.173 -8.831 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 99 0.199 -9.431 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.154 -11.535 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.083 -10.074 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.391 -10.918 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.512 -11.525 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.700 -10.948 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.836 -10.071 -2.767 1.00 0.00 H new ATOM 1534 N THR A 100 -2.741 -7.365 -0.186 1.00 0.00 N ATOM 1535 CA THR A 100 -3.207 -6.266 0.665 1.00 0.00 C ATOM 1536 C THR A 100 -4.179 -6.731 1.757 1.00 0.00 C ATOM 1537 O THR A 100 -5.216 -7.325 1.487 1.00 0.00 O ATOM 1538 CB THR A 100 -3.712 -5.115 -0.228 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.598 -3.916 0.497 1.00 0.00 O ATOM 1540 CG2 THR A 100 -5.160 -5.238 -0.700 1.00 0.00 C ATOM 0 H THR A 100 -3.463 -8.055 -0.396 1.00 0.00 H new ATOM 0 HA THR A 100 -2.374 -5.869 1.245 1.00 0.00 H new ATOM 0 HB THR A 100 -3.096 -5.145 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.913 -3.169 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.415 -4.379 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.277 -6.153 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.823 -5.270 0.165 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.808 -6.535 3.020 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.598 -6.957 4.176 1.00 0.00 C ATOM 1550 C ASN A 101 -5.812 -6.030 4.421 1.00 0.00 C ATOM 1551 O ASN A 101 -5.772 -4.834 4.130 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.641 -7.017 5.379 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.334 -7.319 6.703 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.554 -6.459 7.541 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.738 -8.546 6.932 1.00 0.00 N ATOM 0 H ASN A 101 -2.936 -6.071 3.274 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.035 -7.940 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.886 -7.781 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.118 -6.065 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.227 -8.768 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.563 -9.278 6.243 1.00 0.00 H new